[(1S,3R)-5-phenyl-2-adamantyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,3R)-5-phenyl-2-adamantyl] 4-methylbenzenesulfonate Openeye Name: [(1S,3R)-5-phenyl-2-adamantyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,3R)-5-phenyl-2-adamantyl] ester IUPAC Name: [(1S,3R)-5-phenyl-2-adamantyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,3R)-5-phenyl-2-adamantyl] ester Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2[C@@H]3CC4C[C@H]2CC(C3)(C4)C5=CC=CC=C5

InChI

InChI=1S/C23H26O3S/c1-16-7-9-21(10-8-16)27(24,25)26-22-18-11-17-12-19(22)15-23(13-17,14-18)20-5-3-2-4-6-20/h2-10,17-19,22H,11-15H2,1H3/t17?,18-,19+,22?,23?